UCSF

ZINC01383263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 35 No

Popular Name: 5-{[(4-fluorobenzyl)oxy]imino}-4-(4-methoxyphenyl)-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 5-{[(4-fluorobenzyl)oxy]imino}-4…

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CAS Number: 477854-14-1

Other Names:

MFCD00794111

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.17 5.54 -11.32 0 6 0 68 469.516 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 128 - 129 KeyOrganics

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.